Acebrohol
| Datoteka:Acebrochol.png
|
|
|
| Klinički podaci
|
| AHFS/Drugs.com
|
Monografija
|
| Identifikatori
|
| CAS broj
|
514-50-1
|
| ATC kod
|
nije dodeljen
|
| PubChem[1][2]
|
170366
|
| ChemSpider[3]
|
148963
|
| UNII
|
7XZB016MY5  Y
|
| Hemijski podaci
|
| Formula
|
C29H48Br2O2
|
| Mol. masa
|
588,498
|
| SMILES
|
eMolekuli & PubHem
|
| InChI |
|---|
InChI=1S/C29H48Br2O2/c1-17(2)8-7-9-18(3)21-10-11-22-20-16-24(30)26-27(31)25(33-19(4)32)13-15-29(26,6)23(20)12-14-28(21,22)5/h17-18,20-27H,7-16H2,1-6H3/t18-,20+,21-,22+,23+,24-,25?,26?,27-,28+,29+/m1/s1
Key: NJTAPFKGQYWFQM-DDBZPYEZSA-N Y |
|
| Farmakoinformacioni podaci
|
| Trudnoća
|
?
|
| Pravni status
|
|
Acebrohol je organsko jedinjenje, koje sadrži 29 atoma ugljenika i ima molekulsku masu od 588,498 Da.
Osobine
Reference
- ↑ Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today 15 (23-24): 1052-7. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519. edit
- ↑ Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry 4: 217-241. DOI:10.1016/S1574-1400(08)00012-1.
- ↑ Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846. edit
- ↑ Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A 102: 3762-3772. DOI:10.1021/jp980230o.
- ↑ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488-1493. DOI:10.1021/ci000392t. PMID 11749573.
- ↑ Ertl P., Rohde B., Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714-3717. DOI:10.1021/jm000942e. PMID 11020286.
Literatura
Spoljašnje veze
